N-methyl-3-(trifluoromethyl)-1,2-thiazol-5-amine

C5H5F3N2S — CID 164584173

IUPACN-methyl-3-(trifluoromethyl)-1,2-thiazol-5-amine
SMILESCNc1cc(C(F)(F)F)ns1
InChIInChI=1S/C5H5F3N2S/c1-9-4-2-3(10-11-4)5(6,7)8/h2,9H,1H3
InChIKeyNJJXRFXUDXDMML-UHFFFAOYSA-N
MW182.17 g/mol
LogP2.20
Rot. Bonds1

About N-methyl-3-(trifluoromethyl)-1,2-thiazol-5-amine

N-methyl-3-(trifluoromethyl)-1,2-thiazol-5-amine (PubChem CID 164584173) has the molecular formula C5H5F3N2S and a molecular weight of 182.17 g/mol. Its IUPAC name is N-methyl-3-(trifluoromethyl)-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-methyl-3-(trifluoromethyl)-1,2-thiazol-5-amine
PubChem CID164584173
Molecular FormulaC5H5F3N2S
Molecular Weight182.17 g/mol
Exact Mass182.01
IUPAC NameN-methyl-3-(trifluoromethyl)-1,2-thiazol-5-amine
SMILESCNc1cc(C(F)(F)F)ns1
InChIInChI=1S/C5H5F3N2S/c1-9-4-2-3(10-11-4)5(6,7)8/h2,9H,1H3
InChIKeyNJJXRFXUDXDMML-UHFFFAOYSA-N
XLogP2.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Trifluoromethyl)-1,2-thiazol-5-amine hydrochloride
CID 167735224
3-(Trifluoromethyl)isothiazol-5-amine
CID 82413499
3-(Difluoromethyl)isothiazol-5-amine
CID 146026664
3-(1,1-difluoroethyl)-N-methyl-1,2-thiazol-5-amine
CID 177223341
3-methyl-N-(2-methylpropyl)-1,2-thiazol-5-amine
CID 5061315
N-(3-methyl-1,2-thiazol-5-yl)formamide
CID 87388392
2,2-difluoro-N-(3-methyl-1,2-thiazol-5-yl)acetamide
CID 126809598
N-ethyl-3-methyl-1,2-thiazol-5-amine
CID 20699951
3-methyl-N-propan-2-yl-1,2-thiazol-5-amine
CID 23518746
N-tert-butyl-3-methyl-1,2-thiazol-5-amine
CID 58337058
N,3-dimethyl-1,2-thiazol-5-amine
CID 58817678
N,3-dimethyl-1,2-thiazol-5-amine;ethane
CID 142194564

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(trifluoromethyl)-1,2-thiazol-5-amine?
The IUPAC name of N-methyl-3-(trifluoromethyl)-1,2-thiazol-5-amine (CID 164584173) is N-methyl-3-(trifluoromethyl)-1,2-thiazol-5-amine.
What is the SMILES notation for N-methyl-3-(trifluoromethyl)-1,2-thiazol-5-amine?
The canonical SMILES for N-methyl-3-(trifluoromethyl)-1,2-thiazol-5-amine is CNc1cc(C(F)(F)F)ns1.
What is the InChIKey of N-methyl-3-(trifluoromethyl)-1,2-thiazol-5-amine?
The InChIKey is NJJXRFXUDXDMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2S/c1-9-4-2-3(10-11-4)5(6,7)8/h2,9H,1H3.
What are the key properties of N-methyl-3-(trifluoromethyl)-1,2-thiazol-5-amine?
N-methyl-3-(trifluoromethyl)-1,2-thiazol-5-amine has a molecular weight of 182.17 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(trifluoromethyl)-1,2-thiazol-5-amine is sourced from PubChem (CID 164584173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).